Malonamic acid, 2-ethyl-2-(piperidinomethyl)-, ethyl ester, monohydrochloride
TL;DR: Malonamic acid, 2-ethyl-2-(piperidinomethyl)-, ethyl ester, monohydrochloride (CAS 96436-00-9) is a chemical compound with molecular formula C13H25ClN2O3 and molecular weight 292.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-carbamoyl-2-(piperidin-1-ium-1-ylmethyl)butanoate chloride
Also Known As: Sch 3711, 2-Ethyl-2-(piperidinomethyl)malonamic acid ethyl ester hydrochloride, Amide dell'etil-piperidinometil-malonato monoetilico cloridrato, Amide dell'etil-piperidinometil-malonato monoetilico cloridrato [Italian], ethyl 2-carbamoyl-2-(piperidin-1-ium-1-ylmethyl)butanoate chloride
| Molecular Formula | C13H25ClN2O3 |
|---|---|
| Molecular Weight | 292.16 g/mol |
| LogP | -3.5 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 292.15536 |
| Heavy Atoms | 19 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 96436-00-9 |
|---|---|
| SMILES | CCC(C[NH+]1CCCCC1)(C(=O)N)C(=O)OCC.[Cl-] |
| InChIKey | JLYMSGTYAIDQJX-UHFFFAOYSA-N |
Product Overview
Malonamic acid, 2-ethyl-2-(piperidinomethyl)-, ethyl ester, monohydrochloride (CAS 96436-00-9), with molecular formula C13H25ClN2O3 and molecular weight 292.16 g/mol. IUPAC: ethyl 2-carbamoyl-2-(piperidin-1-ium-1-ylmethyl)butanoate chloride.
Chemical Property Profile of Malonamic acid, 2-ethyl-2-(piperidinomethyl)-, ethyl ester, monohydrochloride
Property Insights of Malonamic acid, 2-ethyl-2-(piperidinomethyl)-, ethyl ester, monohydrochloride
The XLogP value of -3.5 indicates that Malonamic acid, 2-ethyl-2-(piperidinomethyl)-, ethyl ester, monohydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Malonamic acid, 2-ethyl-2-(piperidinomethyl)-, ethyl ester, monohydrochloride. Following Lipinski's Rule of Five, Malonamic acid, 2-ethyl-2-(piperidinomethyl)-, ethyl ester, monohydrochloride has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Malonamic acid, 2-ethyl-2-(piperidinomethyl)-, ethyl ester, monohydrochloride?
The CAS number of Malonamic acid, 2-ethyl-2-(piperidinomethyl)-, ethyl ester, monohydrochloride is 96436-00-9.
What is the molecular formula of Malonamic acid, 2-ethyl-2-(piperidinomethyl)-, ethyl ester, monohydrochloride?
The molecular formula of Malonamic acid, 2-ethyl-2-(piperidinomethyl)-, ethyl ester, monohydrochloride is C13H25ClN2O3.
What is the molecular weight of Malonamic acid, 2-ethyl-2-(piperidinomethyl)-, ethyl ester, monohydrochloride?
The molecular weight of Malonamic acid, 2-ethyl-2-(piperidinomethyl)-, ethyl ester, monohydrochloride is 292.16 g/mol.
Where can I buy Malonamic acid, 2-ethyl-2-(piperidinomethyl)-, ethyl ester, monohydrochloride?
You can request a quote for Malonamic acid, 2-ethyl-2-(piperidinomethyl)-, ethyl ester, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Malonamic acid, 2-ethyl-2-(piperidinomethyl)-, ethyl ester, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Malonamic acid, 2-ethyl-2-(piperidinomethyl)-, ethyl ester, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.